1-N,2-N-diphenylacenaphthylene-1,2-diimine

C24H16N2 — CID 3815380

IUPAC1-N,2-N-diphenylacenaphthylene-1,2-diimine
SMILESc1ccc(/N=C2C(=N\c3ccccc3)\c3cccc4cccc\2c34)cc1
InChIInChI=1S/C24H16N2/c1-3-11-18(12-4-1)25-23-20-15-7-9-17-10-8-16-21(22(17)20)24(23)26-19-13-5-2-6-14-19/h1-16H/b25-23-,26-24+
InChIKeyHVLCRQYIPAXWPX-MJPLYFDISA-N
MW332.41 g/mol
LogP6.09
Rot. Bonds2

About 1-N,2-N-diphenylacenaphthylene-1,2-diimine

1-N,2-N-diphenylacenaphthylene-1,2-diimine (PubChem CID 3815380) has the molecular formula C24H16N2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-N,2-N-diphenylacenaphthylene-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N-diphenylacenaphthylene-1,2-diimine
PubChem CID3815380
Molecular FormulaC24H16N2
Molecular Weight332.41 g/mol
Exact Mass332.13
IUPAC Name1-N,2-N-diphenylacenaphthylene-1,2-diimine
SMILESc1ccc(/N=C2C(=N\c3ccccc3)\c3cccc4cccc\2c34)cc1
InChIInChI=1S/C24H16N2/c1-3-11-18(12-4-1)25-23-20-15-7-9-17-10-8-16-21(22(17)20)24(23)26-19-13-5-2-6-14-19/h1-16H/b25-23-,26-24+
InChIKeyHVLCRQYIPAXWPX-MJPLYFDISA-N
XLogP6.09
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.41
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

9-(Phenylimino)fluorene
CID 225986
N'-[7-[[amino(phenyl)methylidene]amino]-9H-fluoren-2-yl]benzenecarboximidamide
CID 11452406
9-(Phenyliminomethyl)anthracene
CID 624492
6,11-Diphenylbenzo[c][1,6]benzodiazocine
CID 1848339
N1,N4-di(9H-fluoren-9-ylidene)-1,4-benzenediamine
CID 408275
Benzenamine, N,N'-(1,2-diphenyl-1,2-ethanediylidene)bis-
CID 436963
Benz(e)indeno(1,2-b)indole
CID 3033969
1-naphthalen-1-yl-N-(4-phenylphenyl)methanimine
CID 145968286
1-N,2-N-bis[3,5-bis(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine
CID 12985667
Bis(1-naphthylimino)acenaphthene
CID 58251389
n-9h-Fluoren-9-ylidene-n-phenylamine oxide
CID 287128
1-naphthalen-2-yl-N-phenylethanimine
CID 291076

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-diphenylacenaphthylene-1,2-diimine?
The IUPAC name of 1-N,2-N-diphenylacenaphthylene-1,2-diimine (CID 3815380) is 1-N,2-N-diphenylacenaphthylene-1,2-diimine.
What is the SMILES notation for 1-N,2-N-diphenylacenaphthylene-1,2-diimine?
The canonical SMILES for 1-N,2-N-diphenylacenaphthylene-1,2-diimine is c1ccc(/N=C2C(=N\c3ccccc3)\c3cccc4cccc\2c34)cc1.
What is the InChIKey of 1-N,2-N-diphenylacenaphthylene-1,2-diimine?
The InChIKey is HVLCRQYIPAXWPX-MJPLYFDISA-N. The full InChI is InChI=1S/C24H16N2/c1-3-11-18(12-4-1)25-23-20-15-7-9-17-10-8-16-21(22(17)20)24(23)26-19-13-5-2-6-14-19/h1-16H/b25-23-,26-24+.
What are the key properties of 1-N,2-N-diphenylacenaphthylene-1,2-diimine?
1-N,2-N-diphenylacenaphthylene-1,2-diimine has a molecular weight of 332.41 g/mol, XLogP of 6.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-diphenylacenaphthylene-1,2-diimine is sourced from PubChem (CID 3815380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).